![Ethyl 4-[3-(3-bromo-4-methoxyphenyl)-2-cyanoprop-2-enamido]benzoate structure](/static/products/3590/359019-77-5.webp)
Ethyl 4-[3-(3-bromo-4-methoxyphenyl)-2-cyanoprop-2-enamido]benzoate
TL;DR: Ethyl 4-[3-(3-bromo-4-methoxyphenyl)-2-cyanoprop-2-enamido]benzoate (CAS 359019-77-5) is a chemical compound with molecular formula C20H17BrN2O4 and molecular weight 428.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[(Z)-3-(3-bromo-4-methoxyphenyl)-2-cyanoprop-2-enoyl]amino]benzoate
Also Known As: ethyl 4-[3-(3-bromo-4-methoxyphenyl)-2-cyanoprop-2-enamido]benzoate, Ethyl 4-[[(Z)-3-(3-bromo-4-methoxyphenyl)-2-cyanoprop-2-enoyl]amino]benzoate
| Molecular Formula | C20H17BrN2O4 |
|---|---|
| Molecular Weight | 428.04 g/mol |
| LogP | 4.18008 |
| Topological Polar Surface Area | 88.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 428.03717 |
| Heavy Atoms | 27 |
| Complexity | 914.5692 |
Chemical Identifiers
| CAS Number | 359019-77-5 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)/C(=C\C2=CC(=C(C=C2)OC)Br)/C#N |
Product Overview
Ethyl 4-[3-(3-bromo-4-methoxyphenyl)-2-cyanoprop-2-enamido]benzoate (CAS 359019-77-5), with molecular formula C20H17BrN2O4 and molecular weight 428.04 g/mol. IUPAC: ethyl 4-[[(Z)-3-(3-bromo-4-methoxyphenyl)-2-cyanoprop-2-enoyl]amino]benzoate.
Chemical Property Profile of Ethyl 4-[3-(3-bromo-4-methoxyphenyl)-2-cyanoprop-2-enamido]benzoate
Property Insights of Ethyl 4-[3-(3-bromo-4-methoxyphenyl)-2-cyanoprop-2-enamido]benzoate
The XLogP value of 4.18008 indicates that Ethyl 4-[3-(3-bromo-4-methoxyphenyl)-2-cyanoprop-2-enamido]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.42 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-[3-(3-bromo-4-methoxyphenyl)-2-cyanoprop-2-enamido]benzoate. Following Lipinski's Rule of Five, Ethyl 4-[3-(3-bromo-4-methoxyphenyl)-2-cyanoprop-2-enamido]benzoate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 4-[3-(3-bromo-4-methoxyphenyl)-2-cyanoprop-2-enamido]benzoate?
The CAS number of Ethyl 4-[3-(3-bromo-4-methoxyphenyl)-2-cyanoprop-2-enamido]benzoate is 359019-77-5.
What is the molecular formula of Ethyl 4-[3-(3-bromo-4-methoxyphenyl)-2-cyanoprop-2-enamido]benzoate?
The molecular formula of Ethyl 4-[3-(3-bromo-4-methoxyphenyl)-2-cyanoprop-2-enamido]benzoate is C20H17BrN2O4.
What is the molecular weight of Ethyl 4-[3-(3-bromo-4-methoxyphenyl)-2-cyanoprop-2-enamido]benzoate?
The molecular weight of Ethyl 4-[3-(3-bromo-4-methoxyphenyl)-2-cyanoprop-2-enamido]benzoate is 428.04 g/mol.
Where can I buy Ethyl 4-[3-(3-bromo-4-methoxyphenyl)-2-cyanoprop-2-enamido]benzoate?
You can request a quote for Ethyl 4-[3-(3-bromo-4-methoxyphenyl)-2-cyanoprop-2-enamido]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-[3-(3-bromo-4-methoxyphenyl)-2-cyanoprop-2-enamido]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[3-(3-bromo-4-methoxyphenyl)-2-cyanoprop-2-enamido]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.